SCHEMBL2249160

SCHEMBL2249160

Cc1ccc(NC(=O)Nc2cccc(CN3CCN(C(=O)O)C(C)[C@H]3C)c2F)cn1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAPK10 P53779 9/20 0.40
MAPK8 P45983 8/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RORC P51449 1/20 0.37
DHODH Q02127 1/20 0.37
HTT P42858 1/20 0.37
CCR3 P51677 3/20 0.37
MAPK9 P45984 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
RAB9A P51151 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
DDX3X O00571 1/20 0.35
MAPT P10636 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2256236 1.00 MAPK10 (0.40) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL2252813 0.92 MAPK10 (0.38) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL2249812 0.92 MAPK10 (0.38) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL2257433 0.91 MAPK10 (0.40) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL2250623 0.91 MAPK10 (0.40) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL2249154 0.89 MAPK10 (0.37) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL2247100 0.89 MAPK10 (0.37) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL2253498 0.87 SMARCA2 (0.39) MAPK10MAPK8RORCDHODHCCR3
SCHEMBL403380 0.85 MAPK10 (0.40) MAPK10MAPK8NPSR1RORCDHODH
SCHEMBL3208737 0.85 RORC (0.47) MAPK10MAPK8NPSR1RORCDHODH

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7989455-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-08-02 US claimed
US-7989455-B2 Compounds, compositions and methods CYTOKINETICS, INC. (US) 2011-08-02 US disclosed